2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol

C13H16ClFO — CID 112653044

IUPAC2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol
SMILESOC(Cc1cccc(F)c1Cl)C1CCCC1
InChIInChI=1S/C13H16ClFO/c14-13-10(6-3-7-11(13)15)8-12(16)9-4-1-2-5-9/h3,6-7,9,12,16H,1-2,4-5,8H2
InChIKeyIJDVDOSBEPAGQC-UHFFFAOYSA-N
MW242.72 g/mol
LogP3.57
Rot. Bonds3

About 2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol

2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol (PubChem CID 112653044) has the molecular formula C13H16ClFO and a molecular weight of 242.72 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol
PubChem CID112653044
Molecular FormulaC13H16ClFO
Molecular Weight242.72 g/mol
Exact Mass242.09
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol
SMILESOC(Cc1cccc(F)c1Cl)C1CCCC1
InChIInChI=1S/C13H16ClFO/c14-13-10(6-3-7-11(13)15)8-12(16)9-4-1-2-5-9/h3,6-7,9,12,16H,1-2,4-5,8H2
InChIKeyIJDVDOSBEPAGQC-UHFFFAOYSA-N
XLogP3.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 112653098
1-(2-chloro-3-fluorophenyl)-3-cycloheptylpropan-2-ol
CID 115831211
2-(2-chloro-3-fluorophenyl)-1-cyclobutyl-N-methylethanamine
CID 112653742
2-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclopentyl)ethanol
CID 112653481
2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol
CID 82802724
2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine
CID 115983923
2-(4-chloro-2-fluorophenyl)-1-cycloheptylethanol
CID 114852326
2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanol
CID 112653482
N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine
CID 81453825
2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-3-yl)ethanamine
CID 112653793
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 112653011
2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 102857380

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol (CID 112653044) is 2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol is OC(Cc1cccc(F)c1Cl)C1CCCC1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol?
The InChIKey is IJDVDOSBEPAGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFO/c14-13-10(6-3-7-11(13)15)8-12(16)9-4-1-2-5-9/h3,6-7,9,12,16H,1-2,4-5,8H2.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol?
2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol has a molecular weight of 242.72 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol is sourced from PubChem (CID 112653044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).